17512-61-7

Basic information

• Product Name: 3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE
• Synonyms: FI 7009;3-bromomethyl-7-chlorobenzo[b]thiophine;Sertaconazole impurity B;3-(Bromomethyl)-7-chloro-benzothiophene;3-(Bromomethyl)-7-chloro-1-benzothiophene
• CAS NO: 17512-61-7
• Molecular Formula: C₉H₆BrClS
• Molecular Weight: 259.91
• EINECS: 1308068-626-2
• Product Categories: Heterocycle-oher series;CMLLYL
• Mol File: 17512-61-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 345.5 °C at 760 mmHg
• Flash Point: 162.8 °C
• Appearance: /
• Density: 1.693 g/cm³
• Vapor Pressure: 0.000122mmHg at 25°C
• Refractive Index: 1.704
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE(17512-61-7)
• EPA Substance Registry System: 3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE(17512-61-7)

Safety Data

• Hazardous Substances Data: 17512-61-7(Hazardous Substances Data)

Usage

Description

3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE is an off-white solid that serves as an intermediate in the preparation of imidazole antifungal agents. Its chemical structure, featuring a bromomethyl group and a chlorine atom, contributes to its reactivity and utility in the synthesis of various pharmaceutical compounds.

Uses

Used in Pharmaceutical Industry:
3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE is used as an intermediate for the synthesis of imidazole antifungal agents. Its unique chemical properties allow it to be a key component in the development of new and effective treatments for fungal infections.
Used in Chemical Research:
As an off-white solid with specific chemical properties, 3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE can also be utilized in various chemical research applications. Its reactivity and structural features make it a valuable compound for exploring new reaction pathways and understanding the behavior of similar molecules in different chemical contexts.

InChI:InChI=1/C9H6BrClS/c10-4-6-5-12-9-7(6)2-1-3-8(9)11/h1-3,5H,4H2

Upstream product

• 6320-03-2 2-chlorothiphenol 
• 17514-52-2 1-(2-chlorophenylthio)propan-2-one 
• 17514-68-0 3-methyl-7-chlorobenzo[b]thiophene 

Downstream Products

• 99592-49-1 1-(2,4-Dichloro-phenyl)-2-imidazol-1-yl-ethanone O-(7-chloro-benzo[b]thiophen-3-ylmethyl)-oxime 
• 99592-32-2 sertaconazole 
• 583057-51-6 Arasertaconazole GRUPO FERRER 
• 99592-39-9 sertaconazole nitrate 
• 17514-68-0 3-methyl-7-chlorobenzo[b]thiophene 

Relevant articles and documents

Preparation process of sertaconazole nitrate

The invention provides a preparation process of sertaconazole nitrate. The preparation process comprises the following steps: acylating, cyclizing, brominating, salifying and refining to obtain the finished product of sertaconazole nitrate. By adopting the preparation process of sertaconazole nitrate, the obtained finished product of sertaconazole nitrate is high in purity and high in yield. By adopting the preparation process of the sertaconazole nitrate, the raw materials are fully reacted, the generation of impurities is effectively reduced, the purity of a crude product is greatly improved, finally, the finished product of the sertaconazole nitrate obtained by adopting a refining process is high in purity and yield, and the production benefit of a sertaconazole nitrate bulk drug is effectively improved.

Method for synthesizing 3 - bromomethyl -7 -chlorobenzo [b] thiophene

The invention discloses a synthesis method of 3 - bromomethyl -7 -chlorobenzo [b] thiophene. The method comprises the following steps: adding a substrate 3 - methyl -7 -chlorobenzo [b] thiophene to the linear alkane of C6 - C8 serving as a solvent, adding the initiator benzoyl peroxide under stirring, heating to boiling, adding the bromination agent N - bromosuccinimide in a batch mode, and continuing the stirring reaction under boiling. 3 - Bromomethyl -7 - chlorobenzo [b] thiophene is prepared by using C6 - C8 linear alkane as a reaction solvent through bromination reaction. C6 - C8 linear alkanes are less toxic than carbon tetrachloride. The atmospheric ozone layer is not destroyed. Moreover, the use is not limited and is more suitable for industrial production.

Halogeno-Substituted 2- and 3-Methylbenzothiophenes: Use of 1H NMR Spectral Analysis and 1H Nuclear Overhauser Effect for Locating the Halogen Substituent

Thirty-seven halogeno-substituted 2- and 3-methyl-(or halogenomethyl)-benzothiophenes, including 17 new compounds, were prepared.The constitution of 14 of these was confirmed by full analysis (LAOCOON) of their 80 MHz 1H NMR spectra and by 1H NOE measurements.In this way a by-product from the preparation of 4- and 6-bromo-3-bromomethylbenzothiophenes was shown conclusively to be 5-bromo-3-bromomethylbenzothiophene.The 3-substituted benzothiophenes showed greater NOE enhancement factors at H-4 than at H-2 when the 3-methyl or halogenomethyl substituent was irradiated.